3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine

C16H26ClNO — CID 62916009

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C16H26ClNO/c1-6-18-12(4)15(11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3
InChIKeyPCPXIOYWXDUSNQ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.16
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine

3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 62916009) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
PubChem CID62916009
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C16H26ClNO/c1-6-18-12(4)15(11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3
InChIKeyPCPXIOYWXDUSNQ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
3-[(5-chloro-2-nitrophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 79580574
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 115844824
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine (CID 62916009) is 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(Cc1cc(Cl)ccc1OC)C(C)C.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is PCPXIOYWXDUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-18-12(4)15(11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 62916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).